BB-SAR is a web application designed for analyzing structure-activity relationships (SAR) at the building block (BB) level. It facilitates data-driven decision-making in medicinal chemistry projects by focusing on a defined chemical series.

• Features
• License
• Installation
• Utilisation

• 🔍 Analyzes biological/physicochemical properties from the BB perspective.
• 📊 Simplifies the data complexity and helps identify trends between molecular features and properties.
• ✨ Provides an intuitive interface for medicinal chemists.

This project is licensed under the GNU General Public License v3.0 - see the LICENSE file for details.

• Python 3.10+
• Conda package manager
• Git

cd /path/to/your/directory
git clone https://github.com/chevillardf/BB-SAR.git
cd BB-SAR

conda env create -f data/py310.yml
conda activate py310

python manage.py runserver

• Open your web browser and go to http://127.0.0.1:8000/
• Default Password: yourPassword (can be edited in bb-sar/settings.py)

• Install Anaconda by following the instructions here.
• Start Anaconda PowerShell and apply the same logic as Linux installation.

For detailed usage instructions, see the User Manual.